4-(3,5-dimethylphenyl)but-3-enamide

C12H15NO — CID 170797430

IUPAC4-(3,5-dimethylphenyl)but-3-enamide
SMILESCc1cc(C)cc(C=CCC(N)=O)c1
InChIInChI=1S/C12H15NO/c1-9-6-10(2)8-11(7-9)4-3-5-12(13)14/h3-4,6-8H,5H2,1-2H3,(H2,13,14)
InChIKeyROGXLDFOPYAVLT-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.19
Rot. Bonds3

About 4-(3,5-dimethylphenyl)but-3-enamide

4-(3,5-dimethylphenyl)but-3-enamide (PubChem CID 170797430) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)but-3-enamide.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)but-3-enamide
PubChem CID170797430
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name4-(3,5-dimethylphenyl)but-3-enamide
SMILESCc1cc(C)cc(C=CCC(N)=O)c1
InChIInChI=1S/C12H15NO/c1-9-6-10(2)8-11(7-9)4-3-5-12(13)14/h3-4,6-8H,5H2,1-2H3,(H2,13,14)
InChIKeyROGXLDFOPYAVLT-UHFFFAOYSA-N
XLogP2.19
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,4,6-trimethylphenyl)but-3-enamide
CID 170797721
4-(2,6-dichloro-4-pyridinyl)but-3-enamide
CID 170798983
4-(3,5-dichloro-4-fluorophenyl)but-3-enamide
CID 170797705
4-(4-prop-1-en-2-ylphenyl)but-3-enamide
CID 170797716
tert-butyl 3-(3,5-dimethylphenyl)prop-2-enyl carbonate
CID 151831781
4-(3-acetylphenyl)but-3-enamide
CID 170797804
4-[3-fluoro-5-(hydroxymethyl)phenyl]but-3-enamide
CID 170797801
4-(4-tert-butylphenyl)but-3-enamide
CID 170798132
methyl 4-(3-fluoro-5-methylphenyl)but-3-enoate
CID 170500418
4-(3-tert-butylphenyl)but-3-enamide
CID 170798133
(E)-4-(4-fluorophenyl)but-3-enamide
CID 101344371
4-(4-propan-2-ylphenyl)but-3-enamide
CID 170797717

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)but-3-enamide?
The IUPAC name of 4-(3,5-dimethylphenyl)but-3-enamide (CID 170797430) is 4-(3,5-dimethylphenyl)but-3-enamide.
What is the SMILES notation for 4-(3,5-dimethylphenyl)but-3-enamide?
The canonical SMILES for 4-(3,5-dimethylphenyl)but-3-enamide is Cc1cc(C)cc(C=CCC(N)=O)c1.
What is the InChIKey of 4-(3,5-dimethylphenyl)but-3-enamide?
The InChIKey is ROGXLDFOPYAVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9-6-10(2)8-11(7-9)4-3-5-12(13)14/h3-4,6-8H,5H2,1-2H3,(H2,13,14).
What are the key properties of 4-(3,5-dimethylphenyl)but-3-enamide?
4-(3,5-dimethylphenyl)but-3-enamide has a molecular weight of 189.26 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)but-3-enamide is sourced from PubChem (CID 170797430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).